[4-(Aminomethyl)phenyl]methanesulfonamide

Base Information

• Chemical Name: [4-(Aminomethyl)phenyl]methanesulfonamide
• CAS No.: 191868-55-0
• Molecular Formula: C₈H₁₂N₂O₂S
• Molecular Weight: 200.261
• European Community (EC) Number: 844-327-4
• DSSTox Substance ID: DTXSID201277080
• Nikkaji Number: J2.358.542A
• Mol file: 191868-55-0.mol

Synonyms:[4-(aminomethyl)phenyl]methanesulfonamide;191868-55-0;(4-(aminomethyl)phenyl)methanesulfonamide;SCHEMBL4573294;4-(aminomethyl)benzylsulphonamide;NBYQWCMTKNOMBS-UHFFFAOYSA-N;BDBM105187;DTXSID201277080;AKOS000119216;4-(Aminomethyl)benzenemethanesulfonamide;NCGC00321949-01;benzenemethanesulfonamide,4-(aminomethyl)-;EN300-53706;AB01317110-02;[4-(aminomethyl)phenyl]methanesulfonamide (EN-8)

Chemical Property of [4-(Aminomethyl)phenyl]methanesulfonamide

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

[4-(aminomethyl)phenyl]methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)CS(=O)(=O)N

Technology Process of [4-(Aminomethyl)phenyl]methanesulfonamide

There total 3 articles about [4-(Aminomethyl)phenyl]methanesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

1-(4-cyanophenyl)methanesulfonamide (191868-54-9) → 1-[4-(aminomethyl)phenyl]methanesulfonamide (191868-55-0)

Guidance literature:

aluminum nickel; ammonia;

Reference yield:

4-cyanobenzyl chloride (874-86-2) → 1-[4-(aminomethyl)phenyl]methanesulfonamide (191868-55-0)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / Einleiten von Chlor in eine wss.Loesung des Reaktionsprodukts

2: water; ammonia

3: palladium; hydrogen chloride; ethanol / Hydrogenation

With hydrogenchloride; ethanol; ammonia; water; palladium;

DOI:10.1021/ja01865a053

Reference yield:

(4-cyano-phenyl)-methanesulfonyl chloride (56105-99-8) → 1-[4-(aminomethyl)phenyl]methanesulfonamide (191868-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: water; ammonia

2: palladium; hydrogen chloride; ethanol / Hydrogenation

With hydrogenchloride; ethanol; ammonia; water; palladium;

DOI:10.1021/ja01865a053

upstream raw materials:

1-(4-cyanophenyl)methanesulfonamide

(4-cyano-phenyl)-methanesulfonyl chloride

4-cyanobenzyl chloride

Downstream raw materials:

(R)-N₅-[Amino(nitroimino)methyl]-N-[[4-(aminosulphonyl-methyl)phenyl]methyl]-N₂-(diphenylacetyl)-ornithinamide

Refernces

• 1、 -. "Amino acid derivatives, pharmaceutical compositions containing these compounds and processes for preparing them". . . Retrieved 2008/06/13.